4-[4-(4-octylphenyl)phenyl]-1-(3-oxidanylidene-4-propyl-cyclohexyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxidanylidene-4-propyl-cyclohexyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxo-4-propyl-cyclohexyl)cyclohexanecarbonitrile CAS Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-octylphenyl)phenyl]-1-(3-oxo-4-propylcyclohexyl)cyclohexane-1-carbonitrile Traditional Name: 1-(3-keto-4-propyl-cyclohexyl)-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile Formula: C36H49NO MolecularWeight: 511.78036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

InChI

InChI=1S/C36H49NO/c1-3-5-6-7-8-9-11-28-12-14-29(15-13-28)30-16-18-31(19-17-30)32-22-24-36(27-37,25-23-32)34-21-20-33(10-4-2)35(38)26-34/h12-19,32-34H,3-11,20-26H2,1-2H3